2-(2-methyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-amine dihydrochloride

• ChemBase ID: 258561
• Molecular Formular: C12H20Cl2N2
• Molecular Mass: 263.2066
• Monoisotopic Mass: 262.10035401
• SMILES: N1(c2c(CCC1C)cccc2)CCN.Cl.Cl
• Canonical SMILES: NCCN1C(C)CCc2c1cccc2.Cl.Cl
• InChI: InChI=1S/C12H18N2.2ClH/c1-10-6-7-11-4-2-3-5-12(11)14(10)9-8-13;;/h2-5,10H,6-9,13H2,1H3;2*1H
• InChIKey: WPYIZLQEUUQXFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-amine dihydrochloride
• IUPAC Traditional name: 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine dihydrochloride
• Synonyms: 2-(2-methyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-amine dihydrochloride

Database IDs

• MDL Number: MFCD11811769
• PubChem SID: 164314471
• PubChem CID: 42943453

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8133185
• LogD (pH = 7.4): 0.03517514
• Log P: 2.185338
• Molar Refractivity: 60.7658 cm^3
• Polarizability: 23.270168 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 209 - 211°C
• Hydrophobicity(logP): 2.744

Product Information

• Purity: 95%